(phenylmethyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate hydrochloride

Systemtic Name: (phenylmethyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate hydrochloride Openeye Name: benzyl 4-(guanidinomethyl)cyclohexanecarboxylate hydrochloride CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid benzyl ester hydrochloride Formula: C16H24ClN3O2 MolecularWeight: 325.83366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN=C(N)N)C(=O)OCC2=CC=CC=C2.Cl

Isomeric SMILES

C1CC(CCC1CN=C(N)N)C(=O)OCC2=CC=CC=C2.Cl

InChI

InChI=1S/C16H23N3O2.ClH/c17-16(18)19-10-12-6-8-14(9-7-12)15(20)21-11-13-4-2-1-3-5-13;/h1-5,12,14H,6-11H2,(H4,17,18,19);1H